smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CC(O)C[NH+]3CCN(c4ccc(OC)cc4)CC3)CC2)cc1	ZINC000031539098	536696283	/nfs/dbraw/zinc/69/62/83/536696283.db2.gz	VHPOJFNPMOMKPV-UHFFFAOYSA-N	1	0	440.588	2.009	20	10		IECDRO
CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)cc2=O	ZINC001560100618	1126207975	/nfs/dbraw/zinc/20/79/75/1126207975.db2.gz	QKUGXGGLGDSAHZ-RDJZCZTQSA-N	1	0	438.406	2.236	20	10		IECDRO
C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)CC1	ZINC000756390549	1126108925	/nfs/dbraw/zinc/10/89/25/1126108925.db2.gz	VMYMBUNXYVSUGR-NRFANRHFSA-N	1	0	425.529	2.385	20	10		IECDRO
CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)cc2=O	ZINC001560100619	1126207908	/nfs/dbraw/zinc/20/79/08/1126207908.db2.gz	QKUGXGGLGDSAHZ-WBVHZDCISA-N	1	0	438.406	2.236	20	10		IECDRO
CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)cc2=O	ZINC001560100616	1126207777	/nfs/dbraw/zinc/20/77/77/1126207777.db2.gz	QKUGXGGLGDSAHZ-DOTOQJQBSA-N	1	0	438.406	2.236	20	10		IECDRO
C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)CC1	ZINC000756390553	1126108867	/nfs/dbraw/zinc/10/88/67/1126108867.db2.gz	VMYMBUNXYVSUGR-OAQYLSRUSA-N	1	0	425.529	2.385	20	10		IECDRO
CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)cc2=O	ZINC001560100617	1126207792	/nfs/dbraw/zinc/20/77/92/1126207792.db2.gz	QKUGXGGLGDSAHZ-NVXWUHKLSA-N	1	0	438.406	2.236	20	10		IECDRO